| SpectraBase Spectrum ID |
ojWJRpho |
| Name |
Colecalciferol -H2O |
| Classification |
Vitamin |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
366.328651352 u |
| Formula |
C27H42 |
| InChI |
InChI=1S/C27H42/c1-20(2)10-8-12-22(4)25-17-18-26-24(14-9-19-27(25,26)5)16-15-23-13-7-6-11-21(23)3/h6,11,15-16,20,22,25-26H,3,7-10,12-14,17-19H2,1-2,4-5H3/b23-15+,24-16+ |
| InChIKey |
RKMCERXUYBKZCB-DFEHQXHXSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
366.633 g/mol |
| SMILES |
CC12C(\C(=C\C=C\3C(=C)C=CCC3)CCC1)CCC2C(CCCC(C)C)C |
| SPLASH |
splash10-014i-2927000000-89fbfca7d952a21ec5fd |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Sample Preparation Procedure |
Detected: P |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_2795 |
